N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

C16H26N2O4S — CID 154751347

IUPACN-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(C(C)(O)C2CCCN2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-16(19,13-6-8-14(22-2)9-7-13)15-5-4-11-18(15)12-10-17-23(3,20)21/h6-9,15,17,19H,4-5,10-12H2,1-3H3
InChIKeyWHMSVKHJHHBIKR-UHFFFAOYSA-N
MW342.46 g/mol
LogP0.92
Rot. Bonds7

About N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 154751347) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID154751347
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(C(C)(O)C2CCCN2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-16(19,13-6-8-14(22-2)9-7-13)15-5-4-11-18(15)12-10-17-23(3,20)21/h6-9,15,17,19H,4-5,10-12H2,1-3H3
InChIKeyWHMSVKHJHHBIKR-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100673530
1-(4-methoxyphenyl)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 154751343
1-(4-methoxyphenyl)-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 128963769
1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
CID 71906741
1-(4-methoxyphenyl)-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 128974487
(1S)-1-(4-methoxyphenyl)-1-[(2R)-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
CID 98794906
(1S)-1-(4-methoxyphenyl)-1-[(2S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100666179
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 128974507
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
CID 154751348
N-[4-[(2S)-2-[(1S)-1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 98794903

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 154751347) is N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is COc1ccc(C(C)(O)C2CCCN2CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WHMSVKHJHHBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(19,13-6-8-14(22-2)9-7-13)15-5-4-11-18(15)12-10-17-23(3,20)21/h6-9,15,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 154751347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).